4-azanyl-5-(3-bromophenyl)-2-sulfanylidene-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-6-one

Systemtic Name: 4-azanyl-5-(3-bromophenyl)-2-sulfanylidene-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-6-one Openeye Name: 4-amino-5-(3-bromophenyl)-2-thioxo-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-6-one CAS Name: 4-amino-5-(3-bromophenyl)-2-sulfanylidene-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-6-one IUPAC Name: 4-amino-5-(3-bromophenyl)-2-sulfanylidene-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-6-one Traditional Name: 4-amino-5-(3-bromophenyl)-2-thioxo-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-6-one Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C3=C(NC(=S)N=C3N2)N)C4=CC(=CC=C4)Br)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C3=C(NC(=S)N=C3N2)N)C4=CC(=CC=C4)Br)C(=O)C1

InChI

InChI=1S/C17H15BrN4OS/c18-9-4-1-3-8(7-9)12-13-10(5-2-6-11(13)23)20-16-14(12)15(19)21-17(24)22-16/h1,3-4,7,12H,2,5-6H2,(H4,19,20,21,22,24)